SCHEMBL7988677

SCHEMBL7988677

NC(=O)c1c(NC(=O)c2cccnc2)ncn1CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.51
EPHX2 P34913 1/20 0.49
LMNA P02545 6/20 0.47
SIRT2 Q8IXJ6 2/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC3 O15379 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7985108 0.95 EPHX2 (0.52) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL7991860 0.90 ADORA2A (0.46) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL7984506 0.84 EHMT2 (0.43) SMN1; SMN2RAB9ANPC1SIRT2SIRT1
SCHEMBL7984889 0.81 NPC1 (0.46) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL7974555 0.81 HDAC1 (0.45) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL7992620 0.81 NPC1 (0.53) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL7974172 0.81 HDAC3 (0.44) SMN1; SMN2RAB9ANPC1LMNASIRT2
SCHEMBL7975241 0.79 GAA (0.50) SMN1; SMN2RAB9ANPC1LMNAHDAC1
SCHEMBL7984257 0.79 RAB9A (0.48) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL7984455 0.79 ABCB1 (0.54) SMN1; SMN2MEN1KMT2ANPC1SIRT2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed